H8Pt(N4O)2
Alexandria ALEXAlex-ID: agm005235845 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8D8_19_spg2
H5NO H2O N2 Pt
2024-10-05 12:18:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005235845).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005235845
data_agm005235845
_cell_length_a 6.53205
_cell_length_b 8.14308
_cell_length_c 8.39510
_cell_angle_alpha 83.52995
_cell_angle_beta 66.17665
_cell_angle_gamma 68.76234
_cell_volume 380.45692
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 0.93951 0.65146 0.18930 1.00000
H2 H 0.06049 0.34854 0.81070 1.00000
H3 H 0.80773 0.65176 0.40628 1.00000
H4 H 0.19227 0.34824 0.59372 1.00000
H5 H 0.09778 0.59913 0.31940 1.00000
H6 H 0.90222 0.40087 0.68060 1.00000
H7 H 0.66974 0.32061 0.16656 1.00000
H8 H 0.33026 0.67939 0.83344 1.00000
H9 H 0.53345 0.48807 0.31730 1.00000
H10 H 0.46655 0.51193 0.68270 1.00000
H11 H 0.72506 0.51208 0.11205 1.00000
H12 H 0.27494 0.48792 0.88795 1.00000
H13 H 0.35311 0.23882 0.00580 1.00000
H14 H 0.64689 0.76118 0.99420 1.00000
H15 H 0.71667 0.24457 0.56234 1.00000
H16 H 0.28333 0.75543 0.43766 1.00000
Pt1 Pt 0.98085 0.32822 0.28047 1.00000
Pt2 Pt 0.01915 0.67178 0.71953 1.00000
N1 N 0.98125 0.07653 0.27250 1.00000
N2 N 0.01875 0.92347 0.72750 1.00000
N3 N 0.12953 0.97324 0.15365 1.00000
N4 N 0.87047 0.02676 0.84635 1.00000
N5 N 0.26519 0.86177 0.04793 1.00000
N6 N 0.73481 0.13823 0.95207 1.00000
N7 N 0.27906 0.23647 0.34447 1.00000
N8 N 0.72094 0.76353 0.65553 1.00000
N9 N 0.37616 0.07749 0.34103 1.00000
N10 N 0.62384 0.92251 0.65897 1.00000
N11 N 0.47962 0.92754 0.33956 1.00000
N12 N 0.52038 0.07246 0.66044 1.00000
N13 N 0.95680 0.58744 0.29884 1.00000
N14 N 0.04320 0.41256 0.70116 1.00000
N15 N 0.68975 0.42365 0.21165 1.00000
N16 N 0.31025 0.57635 0.78835 1.00000
O1 O 0.19119 0.31762 0.02127 1.00000
O2 O 0.80881 0.68238 0.97873 1.00000
O3 O 0.75642 0.35259 0.53900 1.00000
O4 O 0.24358 0.64741 0.46100 1.00000
